2-[5-(3-bromophenyl)furan-2-yl]-6-methyl-quinoline-4-carboxylate

Systemtic Name: 2-[5-(3-bromophenyl)furan-2-yl]-6-methyl-quinoline-4-carboxylate Openeye Name: 2-[5-(3-bromophenyl)-2-furyl]-6-methyl-quinoline-4-carboxylate CAS Name: 2-[5-(3-bromophenyl)-2-furanyl]-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-[5-(3-bromophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate Traditional Name: 2-[5-(3-bromophenyl)-2-furyl]-6-methyl-cinchoninate Formula: C21H13BrNO3- MolecularWeight: 407.23682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H14BrNO3/c1-12-5-6-17-15(9-12)16(21(24)25)11-18(23-17)20-8-7-19(26-20)13-3-2-4-14(22)10-13/h2-11H,1H3,(H,24,25)/p-1